4-(benzylsulfanylmethyl)-N-[(Z)-[4-[2-oxo-2-(2-phenylethylamino)ethoxy]phenyl]methylideneamino]benzamide
Formula:C32H31N3O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-(benzylsulfanylmethyl)-N-[(Z)-[4-[2-oxo-2-(2-phenylethylamino)ethoxy]phenyl]methylideneamino]benzamide is not a drug-like molecule.
| MolName | 4-(benzylsulfanylmethyl)-N-[(Z)-[4-[2-oxo-2-(2-phenylethylamino)ethoxy]phenyl]methylideneamino]benzamide |
| MolecularFormula | C32H31N3O3S |
| Smiles | O=C(COc1ccc(/C=N\NC(c2ccc(CSCc3ccccc3)cc2)=O)cc1)NCCc1ccccc1 |
| InChI | InChI=1S/C32H31N3O3S/c36-31(33-20-19-25-7-3-1-4-8-25)22-38-30-17-13-26(14-18-30)21-34-35-32(37)29-15-11-28(12-16-29)24-39-23-27-9-5-2-6-10-27/h1-18,21H,19-20,22-24H2,(H,33,36)(H,35,37) |
| InChIK | FOMFJEYACRGXAC-UHFFFAOYSA-N |
| TotalMolweight | 537.682 |
| Molweight | 537.682 |
| MonoisotopicMass | 537.208612 |
| CLogP | 6.0017 |
| CLogS | -7.614 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 432.01 |
| Relative PSA | 0.2037 |
| PolarSurfaceArea | 105.09 |
| Druglikeness | 5.3411 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.74359 |
| Fragments | 1 |
| Non HAtoms | 39 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 13 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 7 |
| Symmetricatoms | 8 |
| Amides | 1 |
| StereoCon |
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1 - 4-(benzylsulfanylmethyl)-N-[(Z)-[4-[2-oxo-2-(2-phenylethylamino)ethoxy]phenyl]methylideneamino]benzamide | 2 - 4-(benzylsulfanylmethyl)-N-[(Z)-[4-[2-oxo-2-(2-phenylethylamino)ethoxy]phenyl]methylideneamino]benzamide
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